4,4-dimethyl-3,5-bis[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazole

C21H32N6 — CID 177453155

IUPAC4,4-dimethyl-3,5-bis[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazole
SMILESCC1=NN=C(CCC2=NN=C(CCC3=NN=C(C)C3(C)C)C2(C)C)C1(C)C
InChIInChI=1S/C21H32N6/c1-13-19(3,4)15(24-22-13)9-11-17-21(7,8)18(27-26-17)12-10-16-20(5,6)14(2)23-25-16/h9-12H2,1-8H3
InChIKeyJLBVRGKXBHRLPF-UHFFFAOYSA-N
MW368.53 g/mol
LogP5.10
Rot. Bonds6

About 4,4-dimethyl-3,5-bis[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazole

4,4-dimethyl-3,5-bis[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazole (PubChem CID 177453155) has the molecular formula C21H32N6 and a molecular weight of 368.53 g/mol. Its IUPAC name is 4,4-dimethyl-3,5-bis[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazole.

Molecular Properties

Compound Name4,4-dimethyl-3,5-bis[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazole
PubChem CID177453155
Molecular FormulaC21H32N6
Molecular Weight368.53 g/mol
Exact Mass368.27
IUPAC Name4,4-dimethyl-3,5-bis[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazole
SMILESCC1=NN=C(CCC2=NN=C(CCC3=NN=C(C)C3(C)C)C2(C)C)C1(C)C
InChIInChI=1S/C21H32N6/c1-13-19(3,4)15(24-22-13)9-11-17-21(7,8)18(27-26-17)12-10-16-20(5,6)14(2)23-25-16/h9-12H2,1-8H3
InChIKeyJLBVRGKXBHRLPF-UHFFFAOYSA-N
XLogP5.10
TPSA74.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.53
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(E)-[(1E,6E)-1-tert-butyl-1,6-dihydrazinylidene-2,2,5,5,7,7-hexamethyloctylidene]hydrazine
CID 10519046
3,8-Didiazo-2,2,4,4,7,7,9,9-octamethyldecane
CID 134882121
3,4,4-Trimethyl-5-[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazole
CID 139173897
3-Ethyl-4,4-dimethyl-5-[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazole
CID 139370669
3-[2-[4,4-Dimethyl-5-[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazol-3-yl]ethyl]-4,4-dimethyl-5-[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazole
CID 139379606
11-Diazo-2,2-dimethylhenicosane
CID 152070007
2-N,4-N-bis(propan-2-ylideneamino)pentane-2,4-diimine;7-methyltridecane
CID 172953973
25,25,26,26,27,27,28,28-Octamethyl-5,6,11,12,17,18,23,24-octazapentacyclo[20.2.1.14,7.110,13.116,19]octacosa-1(24),4,6,10,12,16,18,22-octaene
CID 5247615
37,37,38,38,39,39,40,40,41,41,42,42-Dodecamethyl-5,6,11,12,17,18,23,24,29,30,35,36-dodecazaheptacyclo[32.2.1.14,7.110,13.116,19.122,25.128,31]dotetraconta-1(36),4,6,10,12,16,18,22,24,28,30,34-dodecaene
CID 5247616
3-tert-butyl-5-(5-tert-butyl-4H-pyrazol-3-yl)-4H-pyrazole
CID 125406512
3-butan-2-yl-5-tert-butyl-4H-pyrazole
CID 157374888
(E)-[(1E,6Z)-1-tert-butyl-1,6-dihydrazinylidene-2,2,5,5,7,7-hexamethyloctylidene]hydrazine
CID 177566580

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3,5-bis[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazole?
The IUPAC name of 4,4-dimethyl-3,5-bis[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazole (CID 177453155) is 4,4-dimethyl-3,5-bis[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazole.
What is the SMILES notation for 4,4-dimethyl-3,5-bis[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazole?
The canonical SMILES for 4,4-dimethyl-3,5-bis[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazole is CC1=NN=C(CCC2=NN=C(CCC3=NN=C(C)C3(C)C)C2(C)C)C1(C)C.
What is the InChIKey of 4,4-dimethyl-3,5-bis[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazole?
The InChIKey is JLBVRGKXBHRLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6/c1-13-19(3,4)15(24-22-13)9-11-17-21(7,8)18(27-26-17)12-10-16-20(5,6)14(2)23-25-16/h9-12H2,1-8H3.
What are the key properties of 4,4-dimethyl-3,5-bis[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazole?
4,4-dimethyl-3,5-bis[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazole has a molecular weight of 368.53 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3,5-bis[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazole is sourced from PubChem (CID 177453155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).